Chlorine dioxide

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
Δfgas25.000kcal/molReviewChase, 1998Data last reviewed in December, 1992
Quantity Value Units Method Reference Comment
gas,1 bar61.477cal/mol*KReviewChase, 1998Data last reviewed in December, 1992

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. to 1000.1000. to 6000.
A 5.76594913.72680
B 19.364000.289913
C -17.64030-0.025442
D 5.8661600.001877
E -0.008018-0.662931
F 22.5370019.05120
G 63.3691975.26131
H 25.0000025.00000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1992 Data last reviewed in December, 1992

Phase change data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
214. to 284.33.32722644.581-90.46Stull, 1947Coefficents calculated by NIST from author's data.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to ClO2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.33 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.33 ± 0.02PIFlesch, Ruhl, et al., 1993LL
10.345 ± 0.005PEFlesch, Ruhl, et al., 1993LL
10.52 ± 0.06EIAlekseev, Zyubina, et al., 1989LL
10.77 ± 0.10EIBaluev, Nikitina, et al., 1980LLK
10.36 ± 0.02PECornford, Frost, et al., 1971LLK
10.7 ± 0.1EIFisher, 1967RDSH
10.5 ± 0.1PECornford, Frost, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
ClO+13.45 ± 0.04OPIFlesch, Ruhl, et al., 1993LL
ClO+13.55 ± 0.08OEIBaluev, Nikitina, et al., 1980LLK
ClO+13.5 ± 0.1OEIFisher, 1967RDSH

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 206

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Flesch, Ruhl, et al., 1993
Flesch, R.; Ruhl, E.; Hottmann, K.; Baumgartel, H., Photoabsorption and photoionization of chlorine dioxide, J. Phys. Chem., 1993, 97, 837. [all data]

Alekseev, Zyubina, et al., 1989
Alekseev, V.I.; Zyubina, T.S.; Zyubin, A.S.; Baluev, A.V., Mass-spectrometric and quantum-chemical investigation of thermochemical characteristics of chlorine oxides, J. Am. Chem. Soc., 1989, 2092. [all data]

Baluev, Nikitina, et al., 1980
Baluev, A.V.; Nikitina, Z.K.; Fedorova, L.I.; Rosolovskii, V.Ya., Mass spectrometric investigation of electron-impact induced ionization of chlorine dioxide and chloryl fluoride molecules, Izv. Akad. Nauk SSSR, Ser. Khim., 1980, 1963. [all data]

Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A., The photoelectron spectrum of the free radical chlorine dioxide, Chem. Phys. Lett., 1971, 10, 345. [all data]

Fisher, 1967
Fisher, I.P., Mass spectrometry study of intermediates in thermal decomposition of perchloric acid and chlorine dioxide, J. Chem. Soc. Faraday Trans., 1967, 63, 684. [all data]

Cornford, Frost, et al., 1972
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A., Photoelectron spectra of some free radicals, Faraday Discuss. Chem. Soc., 1972, 54, 56. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References